4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione

C7H11NS2 — CID 3729200

IUPAC4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione
SMILESCc1[nH]c(=S)sc1C(C)C
InChIInChI=1S/C7H11NS2/c1-4(2)6-5(3)8-7(9)10-6/h4H,1-3H3,(H,8,9)
InChIKeyOIZSWWSVVKEVQF-UHFFFAOYSA-N
MW173.31 g/mol
LogP3.24
Rot. Bonds1

About 4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione

4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione (PubChem CID 3729200) has the molecular formula C7H11NS2 and a molecular weight of 173.31 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione
PubChem CID3729200
Molecular FormulaC7H11NS2
Molecular Weight173.31 g/mol
Exact Mass173.03
IUPAC Name4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione
SMILESCc1[nH]c(=S)sc1C(C)C
InChIInChI=1S/C7H11NS2/c1-4(2)6-5(3)8-7(9)10-6/h4H,1-3H3,(H,8,9)
InChIKeyOIZSWWSVVKEVQF-UHFFFAOYSA-N
XLogP3.24
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione (CID 3729200) is 4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione is Cc1[nH]c(=S)sc1C(C)C.
What is the InChIKey of 4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione?
The InChIKey is OIZSWWSVVKEVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS2/c1-4(2)6-5(3)8-7(9)10-6/h4H,1-3H3,(H,8,9).
What are the key properties of 4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione?
4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione has a molecular weight of 173.31 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 3729200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).